General Information of the Compound
| Compound ID |
CP0887686
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| Compound Name |
2,2'-((3-ethoxy-5-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzoyl)azanediyl)diacetic acid hydrochloride
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| Structure |
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| Formula |
C31H42ClN5O10
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| Molecular Weight |
680.155
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(C(=O)N(CC(=O)O)CC(=O)O)c2)n1)[C@@H](CC)N(O)C=O.Cl
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| InChI |
InChI=1S/C31H41N5O10.ClH/c1-4-7-8-10-23(26(5-2)36(45)19-37)29(42)32-18-33-30(43)25-12-9-11-24(34-25)20-13-21(15-22(14-20)46-6-3)31(44)35(16-27(38)39)17-28(40)41;/h9,11-15,19,23,26,45H,4-8,10,16-18H2,1-3H3,(H,32,42)(H,33,43)(H,38,39)(H,40,41);1H/t23-,26-;/m1./s1
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| InChIKey |
FWRKFQXHXGKCEJ-MIPPOABVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2